7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine

C26H33F3N6 — CID 156526697

About 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine

7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine (PubChem CID 156526697) has the molecular formula C26H33F3N6 and a molecular weight of 486.59 g/mol. Its IUPAC name is 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine.

Molecular Properties

• Compound Name: 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine
• PubChem CID: 156526697
• Molecular Formula: C26H33F3N6
• Molecular Weight: 486.59 g/mol
• Exact Mass: 486.27
• IUPAC Name: 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine
• SMILES: Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(N(C)C)CC4)cc23)cccc1C(F)(F)F
• InChI: InChI=1S/C26H33F3N6/c1-16-19(8-7-9-22(16)26(27,28)29)17(2)31-24-20-14-23(30-15-21(20)18(3)32-33-24)35-12-10-25(4,11-13-35)34(5)6/h7-9,14-15,17H,10-13H2,1-6H3,(H,31,33)/t17-/m1/s1
• InChIKey: FZXSADNPRDTPRK-QGZVFWFLSA-N
• XLogP: 5.75
• TPSA: 57.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.59
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine?

The IUPAC name of 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine (CID 156526697) is 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine.

What is the SMILES notation for 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine?

The canonical SMILES for 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine is Cc1c([C@@H](C)Nc2nnc(C)c3cnc(N4CCC(C)(N(C)C)CC4)cc23)cccc1C(F)(F)F.

What is the InChIKey of 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine?

The InChIKey is FZXSADNPRDTPRK-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H33F3N6/c1-16-19(8-7-9-22(16)26(27,28)29)17(2)31-24-20-14-23(30-15-21(20)18(3)32-33-24)35-12-10-25(4,11-13-35)34(5)6/h7-9,14-15,17H,10-13H2,1-6H3,(H,31,33)/t17-/m1/s1.

What are the key properties of 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine?

7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine has a molecular weight of 486.59 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-(dimethylamino)-4-methylpiperidin-1-yl]-4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyridazin-1-amine is sourced from PubChem (CID 156526697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).